(1S,3S,4R)-3-methoxy-4-morpholin-4-yl-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-3-methoxy-4-morpholin-4-yl-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-morpholino-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(4-morpholinyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-morpholino-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)C#N)N4CCOCC4

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@H](N1C(=O)C3=CC=CC=C3)C#N)N4CCOCC4

InChI

InChI=1S/C22H23N3O3/c1-27-22-20(24-11-13-28-14-12-24)18-10-6-5-9-17(18)19(15-23)25(22)21(26)16-7-3-2-4-8-16/h2-10,19-20,22H,11-14H2,1H3/t19-,20-,22+/m1/s1